0 B4R0.2 C#CCC=O C06145 [0,0,0,0,0,0|1,0,3]=4 1 B4R0.2 C#CCCO C06146 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.2 C=CCCN C12244 [0,0,0,0,0,0|0,0,2]=2 3 B4R0.2 CCC=S=O C08389 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 CCCC=O C01412 [0,0,0,0,0,0|1,0,1]=2 5 B4R0.2 CCCCO C06142 [0,0,0,0,0,0|1,0,0]=1 6 B4R0.2 CCOCC C13240 [0,0,0,0,0,0|2,0,0]=2 7 B4R0.2 CCSCC C02272 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.2 CSSSC C08372 [0,0,0,0,0,0|4,0,0]=4 9 B4R0.2 C\C=C\C=O C19377 [0,0,0,0,0,0|1,0,3]=4 10 B4R0.2 ClCOCCl C19158 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.2 Cl\C=C/CCl C06610 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.2 Cl\C=C\CCl C06609 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.2 Cl\C=C\CCl C18627 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.2 N#CCCN C05670 [0,0,0,0,0,0|1,0,1]=2 15 B4R0.2 NCCC=O C05665 [0,0,0,0,0,0|1,0,1]=2 16 B4R0.2 NCCCN C00986 [0,0,0,0,0,0|1,0,0]=1 17 B4R0.2 O=CCC=O C19440 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.2 O=CCCO C00969 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 OCCCO C02457 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.2 OC\C=C/Cl C06612 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.2 OC\C=C\Cl C06611 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.2 [*]CCC=O C00609 [0,0,0,0,0,0|2,0,1]=3 23 B3R0.1 BrCCBr C11088 [1,0,0,0,0,0|2,0,0]=3 24 B3R0.1 C#CCO C05986 [1,0,0,0,0,0|1,0,2]=4 25 B3R0.1 C(=O)NC C11489 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 C=CCCl C19316 [1,0,0,0,0,0|1,0,2]=4 27 B3R0.1 C=CCO C02001 [1,0,0,0,0,0|1,0,2]=4 28 B3R0.1 CCC=O C00479 [1,0,0,0,0,0|1,0,1]=3 29 B3R0.1 CCCC C21390 [1,0,0,0,0,0|0,0,0]=1 30 B3R0.1 CCCO C05979 [1,0,0,0,0,0|1,0,0]=2 31 B3R0.1 CCCS C08390 [1,0,0,0,0,0|1,0,0]=2 32 B3R0.1 CN=C=S C18587 [1,0,0,0,0,0|2,0,1]=4 33 B3R0.1 CNN=O C19568 [1,0,0,0,0,0|3,0,0]=4 34 B3R0.1 CNNC C19176 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.1 COCCl C19160 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 CSSC C08371 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.1 C\N=N\O C20306 [1,0,0,0,0,0|3,0,0]=4 38 B3R0.1 ClCCCl C06752 [1,0,0,0,0,0|2,0,0]=3 39 B3R0.1 N#CCCl C19360 [1,0,0,0,0,0|1,0,2]=4 40 B3R0.1 NCC=O C06735 [1,0,0,0,0,0|1,0,1]=3 41 B3R0.1 NCCN C18382 [1,0,0,0,0,0|1,0,0]=2 42 B3R0.1 NCCO C00189 [1,0,0,0,0,0|1,0,0]=2 43 B3R0.1 NCCS C01678 [1,0,0,0,0,0|1,0,0]=2 44 B3R0.1 O=CCBr C14870 [1,0,0,0,0,0|2,0,1]=4 45 B3R0.1 O=CCCl C06754 [1,0,0,0,0,0|2,0,1]=4 46 B3R0.1 O=CCF C15488 [1,0,0,0,0,0|2,0,1]=4 47 B3R0.1 O=CCO C00266 [1,0,0,0,0,0|2,0,1]=4 48 B3R0.1 OCCCl C06753 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.1 OCCO C01380 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.1 OCCO C15588 [1,0,0,0,0,0|2,0,0]=3 51 B3R0.1 OCCS C00928 [1,0,0,0,0,0|2,0,0]=3 52 B3R0.1 [*]CCN C15534 [1,0,0,0,0,0|1,0,0]=2 53 B3R0.1 [*]CN[*] C21299 [1,0,0,0,0,0|3,0,0]=4 54 B3R0.1 [*]CO[*] C12942 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CC(=O)NCN C02297 [0,1,0,0,0,0|1,0,1]=3 56 B5R0.1 CC(C)=CCO C01390 [0,1,0,0,0,0|1,0,2]=4 57 B5R0.1 CC(C)CC=O C07329 [0,1,0,0,0,0|1,0,1]=3 58 B5R0.1 CC(C)CCN C02640 [0,1,0,0,0,0|0,0,0]=1 59 B5R0.1 CC(C)CCO C07328 [0,1,0,0,0,0|1,0,0]=2 60 B5R0.1 CC(C)CNO C21369 [0,1,0,0,0,0|2,0,0]=3 61 B5R0.1 CC(C)\C=N/O C20315 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.1 CC(C)\C=N\O C03219 [0,1,0,0,0,0|2,0,1]=4 63 B5R0.1 CC(O)CCO C20335 [0,1,0,0,0,0|1,0,0]=2 64 B5R0.1 CCCC(=O)O C00246 [0,1,0,0,0,0|1,0,1]=3 65 B5R0.1 CCCC(C)=O C01949 [0,1,0,0,0,0|1,0,1]=3 66 B5R0.1 CCNC(C)=O C21404 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 CCOC(C)=O C00849 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 CCOC(N)=O C01537 [0,1,0,0,0,0|1,0,1]=3 69 B5R0.1 CNCC(=O)O C00213 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CSCC(=O)O C03173 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.1 C\[N+]([O-])=N\CO C02390 [0,1,0,0,0,0|3,0,0]=4 72 B5R0.1 NC(=O)NCO C06384 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.1 NCCC(=O)O C00099 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.1 NCCC(N)=O C19779 [0,1,0,0,0,0|1,0,1]=3 75 B5R0.1 NCCS(=O)O C00519 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 NCNC(N)=O C06383 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 O=C(O)CCO C01013 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.1 P(=O)(O)OCC C18401 [0,1,0,0,0,0|3,0,0]=4 79 B5R0.1 [*]C(=O)OCC C04202 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.1 [*]CCC(=O)O C00347 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 [*]CCC(=O)O C00638 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.2 C=CCSSC C08383 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.2 CCCCCC C11271 [0,1,0,0,0,0|1,0,0]=2 84 B5R0.2 CCCCCO C16834 [0,1,0,0,0,0|1,0,0]=2 85 B5R0.2 CCNNCC C19227 [0,1,0,0,0,0|2,0,0]=3 86 B5R0.2 CCOCCO C14687 [0,1,0,0,0,0|1,0,0]=2 87 B5R0.2 CSCCCN C03354 [0,1,0,0,0,0|0,0,0]=1 88 B5R0.2 ClC\C=C\CCl C19398 [0,1,0,0,0,0|1,0,2]=4 89 B5R0.2 NCCCC=O C00555 [0,1,0,0,0,0|0,0,1]=2 90 B5R0.2 NCCCC=O C02903 [0,1,0,0,0,0|0,0,1]=2 91 B5R0.2 NCCCCN C00134 [0,1,0,0,0,0|0,0,0]=1 92 B5R0.2 NCCCCN C02896 [0,1,0,0,0,0|0,0,0]=1 93 B5R0.2 O=CCCC=O C16835 [0,1,0,0,0,0|1,0,2]=4 94 B5R0.2 OCC#CCO C02497 [0,1,0,0,0,0|1,0,2]=4 95 B5R0.3 CCC(C)C#N C21525 [0,1,0,0,0,0|0,0,2]=3 96 B5R0.3 CCC(C)C=O C02223 [0,1,0,0,0,0|1,0,1]=3 97 B5R0.3 CCN(C)N=O C19281 [0,1,0,0,0,0|3,0,0]=4 98 B5R0.3 ClCC(Br)CBr C14336 [0,1,0,0,0,0|2,0,0]=3 99 B5R0.3 ClCC(Cl)CCl C14400 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.3 NC[C@H](O)CO C06057 [0,1,0,0,0,0|1,0,0]=2 101 B5R0.3 O=C(CO)CO C00184 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.3 O=CC(O)CO C02154 [0,1,0,0,0,0|2,0,1]=4 103 B5R0.3 O=C[C@@H](O)CO C02426 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.3 O=C[C@H](O)CO C00577 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.3 OC(CCl)CCl C14399 [0,1,0,0,0,0|2,0,0]=3 106 B5R0.3 OCC(Br)CBr C19224 [0,1,0,0,0,0|2,0,0]=3 107 B5R0.3 OCC(O)CCl C18676 [0,1,0,0,0,0|2,0,0]=3 108 B5R0.3 OCC(O)CO C00116 [0,1,0,0,0,0|2,0,0]=3 109 B5R0.3 OCC(S)CS C02924 [0,1,0,0,0,0|2,0,0]=3 110 B5R1.1 C1=NCCC1 C15668 [0,0,0,1,0,0|0,0,2]=3 111 B5R1.2 O=C1CCO1 C19297 [0,0,0,1,0,0|2,0,1]=4 112 B5R1.3 CCC1CO1 C19237 [0,0,0,1,0,0|1,0,0]=2 113 B5R1.3 ClCC1CO1 C14449 [0,0,0,1,0,0|2,0,0]=3 114 B5R1.3 O=CC1CO1 C19246 [0,0,0,1,0,0|2,0,1]=4 115 B5R1.3 OCC1CO1 C10920 [0,0,0,1,0,0|2,0,0]=3 116 B5R1.4 [*]C1OC1[*] C00722 [0,0,0,1,0,0|3,0,0]=4 117 B2R0.1 C(N)=O C00488 [2,0,0,0,0,0|1,0,1]=4 118 B2R0.1 C=CC C11505 [2,0,0,0,0,0|0,0,2]=4 119 B2R0.1 CC=O C00084 [2,0,0,0,0,0|1,0,1]=4 120 B2R0.1 CCBr C19354 [2,0,0,0,0,0|1,0,0]=3 121 B2R0.1 CCC C20783 [2,0,0,0,0,0|0,0,0]=2 122 B2R0.1 CCCl C18248 [2,0,0,0,0,0|1,0,0]=3 123 B2R0.1 CCN C00797 [2,0,0,0,0,0|0,0,0]=2 124 B2R0.1 CCO C00469 [2,0,0,0,0,0|1,0,0]=3 125 B2R0.1 CNC C00543 [2,0,0,0,0,0|1,0,0]=3 126 B2R0.1 COC C11144 [2,0,0,0,0,0|1,0,0]=3 127 B2R0.1 CSC C00580 [2,0,0,0,0,0|1,0,0]=3 128 B2R0.1 C[Hg]Cl C11146 [2,0,0,0,0,0|2,0,0]=4 129 B2R0.1 C[N+]#N C20302 [2,0,0,0,0,0|1,0,1]=4 130 B2R0.1 C[Se]C C02535 [2,0,0,0,0,0|1,0,0]=3 131 B2R0.1 C[Te]C C02677 [2,0,0,0,0,0|1,0,0]=3 132 B2R0.1 ClCBr C02661 [2,0,0,0,0,0|2,0,0]=4 133 B2R0.1 ClCCl C02271 [2,0,0,0,0,0|2,0,0]=4 134 B2R0.1 FCCl C19362 [2,0,0,0,0,0|2,0,0]=4 135 B2R0.1 N#CN C01566 [2,0,0,0,0,0|1,0,1]=4 136 B2R0.1 NCN C02311 [2,0,0,0,0,0|1,0,0]=3 137 B2R0.1 NCN C03687 [2,0,0,0,0,0|1,0,0]=3 138 B2R0.1 [*]CC C21763 [2,0,0,0,0,0|1,0,0]=3 139 B2R0.1 [*]CN C00375 [2,0,0,0,0,0|1,0,0]=3 140 B2R0.1 [*]CO C00226 [2,0,0,0,0,0|2,0,0]=4 141 B2R0.1 [*]CO C00339 [2,0,0,0,0,0|2,0,0]=4 142 B2R0.1 [*]C[*] C01872 [2,0,0,0,0,0|2,0,0]=4 143 B2R0.1 [*]NC C02436 [2,0,0,0,0,0|2,0,0]=4 144 B2R0.1 [*]SC C20791 [2,0,0,0,0,0|2,0,0]=4 145 B4R0.1 C(=O)C(C)O C05999 [1,1,0,0,0,0|1,0,1]=4 146 B4R0.1 C=C(C)CCl C19363 [1,1,0,0,0,0|1,0,1]=4 147 B4R0.1 CC(=O)CN C01888 [1,1,0,0,0,0|0,0,1]=3 148 B4R0.1 CC(=O)CO C05235 [1,1,0,0,0,0|1,0,1]=4 149 B4R0.1 CC(=O)NN C07447 [1,1,0,0,0,0|1,0,1]=4 150 B4R0.1 CC(C)C#N C02420 [1,1,0,0,0,0|0,0,2]=4 151 B4R0.1 CC(C)CN C02787 [1,1,0,0,0,0|0,0,0]=2 152 B4R0.1 CC(C)CO C14710 [1,1,0,0,0,0|1,0,0]=3 153 B4R0.1 CC(Cl)CCl C19034 [1,1,0,0,0,0|1,0,0]=3 154 B4R0.1 CC(N)C#N C05714 [1,1,0,0,0,0|0,0,2]=4 155 B4R0.1 CC(O)CN C05771 [1,1,0,0,0,0|0,0,0]=2 156 B4R0.1 CC(O)CO C00583 [1,1,0,0,0,0|1,0,0]=3 157 B4R0.1 CCC(=O)O C00163 [1,1,0,0,0,0|1,0,1]=4 158 B4R0.1 CCC(C)=O C02845 [1,1,0,0,0,0|0,0,1]=3 159 B4R0.1 CCC(C)N C18706 [1,1,0,0,0,0|0,0,0]=2 160 B4R0.1 CC[N+](=O)[O-] C01837 [1,1,0,0,0,0|2,0,0]=4 161 B4R0.1 CNC(=N)N C02294 [1,1,0,0,0,0|1,0,1]=4 162 B4R0.1 CNC(N)=O C16363 [1,1,0,0,0,0|1,0,1]=4 163 B4R0.1 COC(C)=O C17530 [1,1,0,0,0,0|1,0,1]=4 164 B4R0.1 COC(N)=O C19445 [1,1,0,0,0,0|1,0,1]=4 165 B4R0.1 C[C@@H](O)C=O C00937 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.1 C[C@@H](O)CN C03194 [1,1,0,0,0,0|0,0,0]=2 167 B4R0.1 C[C@@H](O)CO C02912 [1,1,0,0,0,0|1,0,0]=3 168 B4R0.1 C[C@H](O)C=O C00424 [1,1,0,0,0,0|1,0,1]=4 169 B4R0.1 C[C@H](O)CO C02917 [1,1,0,0,0,0|1,0,0]=3 170 B4R0.1 ClCC(Cl)Cl C19536 [1,1,0,0,0,0|2,0,0]=4 171 B4R0.1 NC(=O)CF C18675 [1,1,0,0,0,0|1,0,1]=4 172 B4R0.1 NCC(=O)O C00037 [1,1,0,0,0,0|1,0,1]=4 173 B4R0.1 OC(Cl)CCl C20305 [1,1,0,0,0,0|2,0,0]=4 174 B4R0.1 [*]C(O)CO C00717 [1,1,0,0,0,0|2,0,0]=4 175 B4R0.1 [*]CC([*])C C19505 [1,1,0,0,0,0|1,0,0]=3 176 B4R0.1 [*]CC([*])O C00980 [1,1,0,0,0,0|2,0,0]=4 177 B4R0.1 [*][C@@H](O)CO C01506 [1,1,0,0,0,0|2,0,0]=4 178 B6R0.1 CC[C@H](C)\C=N/O C20312 [0,2,0,0,0,0|0,0,2]=4 179 B6R0.1 CC[C@H](C)\C=N\O C19491 [0,2,0,0,0,0|0,0,2]=4 180 B6R0.1 [*]OC[C@@H](O)CO C02773 [0,2,0,0,0,0|2,0,0]=4 181 B6R0.1 [*]SC(=O)CCC C05745 [0,2,0,0,0,0|1,0,1]=4 182 B6R0.2 CC(=O)CC(C)C C19263 [0,2,0,0,0,0|1,0,1]=4 183 B6R0.2 CC(=O)CC(N)=O C11106 [0,2,0,0,0,0|0,0,2]=4 184 B6R0.2 CC(C)CC(=O)O C08262 [0,2,0,0,0,0|1,0,1]=4 185 B6R0.2 CC(O)CC(N)=O C11109 [0,2,0,0,0,0|0,0,1]=3 186 B6R0.2 C[C@@H](O)CC(=O)O C01089 [0,2,0,0,0,0|1,0,1]=4 187 B6R0.2 C[C@H](O)CC(=O)O C03197 [0,2,0,0,0,0|1,0,1]=4 188 B6R0.3 CC(CN)C(=O)O C05145 [0,2,0,0,0,0|1,0,1]=4 189 B6R0.3 CCC(C)C(=O)O C18319 [0,2,0,0,0,0|1,0,1]=4 190 B6R0.3 CC[C@@H](N)C(=O)O C02261 [0,2,0,0,0,0|1,0,1]=4 191 B6R0.3 CC[C@H](N)C(=O)O C02356 [0,2,0,0,0,0|1,0,1]=4 192 B6R0.3 CC[C@H](O)C(=O)O C05984 [0,2,0,0,0,0|1,0,1]=4 193 B6R0.3 C[C@@H](CN)C(=O)O C03284 [0,2,0,0,0,0|1,0,1]=4 194 B6R0.3 C[C@H](CN)C(=O)O C01205 [0,2,0,0,0,0|1,0,1]=4 195 B6R0.3 NCC(F)C(=O)O C16632 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.3 NCC(N)C(=O)O C06393 [0,2,0,0,0,0|1,0,1]=4 197 B6R0.3 NC[C@H](N)C(=O)O C03401 [0,2,0,0,0,0|1,0,1]=4 198 B6R0.4 CC(=O)SCCN C03537 [0,2,0,0,0,0|0,0,1]=3 199 B6R0.4 CC(C)CCC=O C02373 [0,2,0,0,0,0|1,0,0]=3 200 B6R0.4 CC(C)C\C=N\O C17255 [0,2,0,0,0,0|0,0,2]=4 201 B6R0.4 CCCCC(=O)O C00803 [0,2,0,0,0,0|1,0,0]=3 202 B6R0.4 CCCCC(N)=O C01842 [0,2,0,0,0,0|0,0,0]=2 203 B6R0.4 CCCOC(N)=O C19514 [0,2,0,0,0,0|0,0,1]=3 204 B6R0.4 CCNCC(=O)O C11735 [0,2,0,0,0,0|1,0,1]=4 205 B6R0.4 CSCCC(=O)O C08276 [0,2,0,0,0,0|1,0,1]=4 206 B6R0.4 NCCCC(=O)O C00334 [0,2,0,0,0,0|0,0,1]=3 207 B6R0.4 O=C(O)CCCO C00989 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.4 O=C(O)CCCO C01991 [0,2,0,0,0,0|1,0,1]=4 209 B6R0.4 O=C(O)CCCS C21736 [0,2,0,0,0,0|1,0,1]=4 210 B6R0.4 [*]CCNC(C)=O C15535 [0,2,0,0,0,0|1,0,1]=4 211 B6R0.5 C[N+](C)(C)CCCl C18585 [0,2,0,0,0,0|2,0,0]=4 212 B6R0.5 C[N+](C)(C)CCO C00114 [0,2,0,0,0,0|2,0,0]=4 213 B6R0.5 NCCP(=O)(O)O C03557 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.5 NCCS(=O)(=O)O C00245 [0,2,0,0,0,0|2,0,0]=4 215 B6R0.5 NCC[As](=O)(O)O C07279 [0,2,0,0,0,0|2,0,0]=4 216 B6R0.6 CCCCCCN C08306 [0,2,0,0,0,0|0,0,0]=2 217 B6R0.6 CCCCOC=O C21713 [0,2,0,0,0,0|1,0,0]=3 218 B6R0.6 CCC\C=C\C=O C08497 [0,2,0,0,0,0|1,0,1]=4 219 B6R0.6 CC\C=C/CC=O C16310 [0,2,0,0,0,0|1,0,1]=4 220 B6R0.6 CC\C=C/CCO C08492 [0,2,0,0,0,0|1,0,0]=3 221 B6R0.6 CNCCCC=O C10974 [0,2,0,0,0,0|0,0,1]=3 222 B6R0.6 CNCCCCN C02723 [0,2,0,0,0,0|0,0,0]=2 223 B6R0.6 ClCCNCCCl C16552 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.6 ClCCOCCCl C14688 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.6 ClCCSCCCl C19164 [0,2,0,0,0,0|1,0,0]=3 226 B6R0.6 NCCCCC=O C12455 [0,2,0,0,0,0|0,0,0]=2 227 B6R0.6 NCCCCCN C01672 [0,2,0,0,0,0|0,0,0]=2 228 B6R0.6 O=CCCCC=O C12518 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.6 OCCNCCO C06772 [0,2,0,0,0,0|1,0,0]=3 230 B6R0.6 OCCOCCO C14689 [0,2,0,0,0,0|1,0,0]=3 231 B6R0.8 CC(N)(CO)CO C11260 [0,2,0,0,0,0|2,0,0]=4 232 B6R0.8 CC[C@@](C)(O)C#N C18796 [0,2,0,0,0,0|0,0,2]=4 233 B6R0.9 CCN(CC)CC C14691 [0,2,0,0,0,0|2,0,0]=4 234 B6R0.9 CCN(CC)N=O C14422 [0,2,0,0,0,0|2,0,0]=4 235 B6R0.9 C\C=C(/CC)CO C02893 [0,2,0,0,0,0|1,0,1]=4 236 B4R1.2 CC1CN1 C19257 [1,0,0,1,0,0|0,0,0]=2 237 B4R1.2 CC1CO1 C15508 [1,0,0,1,0,0|1,0,0]=3 238 B4R1.2 C[C@@H]1CO1 C11506 [1,0,0,1,0,0|1,0,0]=3 239 B4R1.2 C[C@H]1CO1 C11507 [1,0,0,1,0,0|1,0,0]=3 240 B4R1.2 ClC1CO1 C20303 [1,0,0,1,0,0|2,0,0]=4 241 B4R1.2 NC1CC1 C14150 [1,0,0,1,0,0|0,0,0]=2 242 B4R1.2 [CH2-]C1CC1 C05354 [1,0,0,1,0,0|0,0,1]=3 243 B6R1.2 CC1=NCCC1 C20808 [0,1,0,1,0,0|0,0,1]=3 244 B6R1.2 C[C@@H]1CCCN1 C20809 [0,1,0,1,0,0|0,0,0]=2 245 B6R1.2 C[N+]1=CCCC1 C06178 [0,1,0,1,0,0|1,0,0]=3 246 B6R1.2 O=C1CCCC1 C00557 [0,1,0,1,0,0|1,0,0]=3 247 B6R1.2 O=C1CCCO1 C01770 [0,1,0,1,0,0|1,0,1]=4 248 B6R1.2 O=C1NCCO1 C06695 [0,1,0,1,0,0|1,0,1]=4 249 B6R1.2 OC1CCCC1 C02020 [0,1,0,1,0,0|1,0,0]=3 250 B6R1.2 S=C1NCCN1 C14398 [0,1,0,1,0,0|1,0,1]=4 251 B6R1.3 OCCN1CC1 C19332 [0,1,0,1,0,0|1,0,0]=3 252 B6R1.5 CC1CC(=O)O1 C19201 [0,1,0,1,0,0|1,0,1]=4 253 B6R1.11 O=C(O)C1CC1 C16267 [0,1,0,1,0,0|1,0,1]=4 254 B6R1.1 C1=NCCCC1 C06181 [0,1,0,1,0,0|0,0,1]=3 255 B6R1.1 C1CCCCC1 C11249 [0,1,0,1,0,0|1,0,0]=3 256 B6R1.1 C1CCNCC1 C01746 [0,1,0,1,0,0|0,0,0]=2 257 B6R1.1 C1CNCCN1 C07973 [0,1,0,1,0,0|0,0,0]=2 258 B6R1.1 C1CNCCN1 C12839 [0,1,0,1,0,0|0,0,0]=2 259 B6R1.1 C1COCCN1 C14452 [0,1,0,1,0,0|0,0,0]=2 260 B6R1.1 C1COCCO1 C14440 [0,1,0,1,0,0|1,0,0]=3 261 B6R1.1 C1CSCCS1 C01871 [0,1,0,1,0,0|1,0,0]=3